{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.671559 0.5 0.828941 ] [ 0.828441 0 0.171059 ] [ 0.171559 0 0.828941 ] [ 0.328441 0.5 0.171059 ] [ 0.837829 0.5 0.377686 ] [ 0.016363 0 0.74164 ] [ 0.983637 0 0.25836 ] [ 0.675215 0 0.042988 ] [ 0.662171 0 0.622314 ] [ 0.824785 0.5 0.957012 ] [ 0.337829 0 0.377686 ] [ 0.516363 0.5 0.74164 ] [ 0.483637 0.5 0.25836 ] [ 0.175215 0.5 0.042988 ] [ 0.162171 0.5 0.622314 ] [ 0.324785 0 0.957012 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.69070474 "source-unit" "angstrom" } "b" { "source-value" 2.88692479 "source-unit" "angstrom" } "c" { "source-value" 5.97076243 "source-unit" "angstrom" } "beta" { "source-value" 105.2294225 "source-unit" "degree" } }